For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R,4aR,4bS,8R,8aR,9R,10aR)-9-hydroxy-1,4a,8-trimethyl-7-oxo-3,4,4b,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
SpectraBase Compound ID 6JzNTCZ6wS7
InChI InChI=1S/C19H28O4/c1-11-13(20)7-6-12-16(11)14(21)10-15-18(12,2)8-5-9-19(15,3)17(22)23-4/h6-7,11-12,14-16,21H,5,8-10H2,1-4H3/t11-,12-,14+,15+,16-,18+,19+/m0/s1
InChIKey MNKCWFOCMDSGSV-FQNLPZPWSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7bvyHbmS8ll
Name (1R,4aR,4bS,8R,8aR,9R,10aR)-9-hydroxy-1,4a,8-trimethyl-7-oxo-3,4,4b,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester
CAS Registry Number 128505-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-11-13(20)7-6-12-16(11)14(21)10-15-18(12,2)8-5-9-19(15,3)17(22)23-4/h6-7,11-12,14-16,21H,5,8-10H2,1-4H3/t11-,12-,14+,15+,16-,18+,19+/m0/s1
InChIKey MNKCWFOCMDSGSV-FQNLPZPWSA-N
Molecular Weight 320.429 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@@]3([C@]([C@@](C(=O)OC)(C)CCC3)(C1)[H])C)(C=CC(=O)[C@@]2(C)[H])[H])[H])[H]
SPLASH splash10-0udi-0911000000-94ecc756c8fd361786cf
Source of Spectrum KC-1989-1882-21
Synonyms (1R,4aR,4bS,8R,8aR,9R,10aR)-9-hydroxy-7-keto-1,4a,8-trimethyl-3,4,4b,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid methyl ester Methyl (1R,4aR,4bS,8R,8aR,9R,10aR)-1,4a,8-trimethyl-9-oxidanyl-7-oxidanylidene-3,4,4b,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate Methyl (1R,4aR,4bS,8R,8aR,9R,10aR)-9-hydroxy-1,4a,8-trimethyl-7-oxo-3,4,4b,8,8a,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Wiley ID 1320286